SpectraBase Spectrum ID |
DIBbvnuxKRz |
Name |
6-(Phenoxyacetamido)penicillanic acid, tms derivative |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
422.133169649 u |
Formula |
C19H26N2O5SSi |
InChI |
InChI=1S/C19H26N2O5SSi/c1-19(2)15(18(24)26-28(3,4)5)21-16(23)14(17(21)27-19)20-13(22)11-25-12-9-7-6-8-10-12/h6-10,14-15,17H,11H2,1-5H3,(H,20,22)/t14-,15+,17-/m1/s1 |
InChIKey |
NKWXXIBKSLKFJM-HLLBOEOZSA-N |
Molecular Weight |
422.571 g/mol |
SMILES |
CC1(C)S[C@@]2([C@](NC(=O)COC3=CC=CC=C3)(C(N2[C@]1(C(O[Si](C)(C)C)=O)[H])=O)[H])[H] |